Heptadecanoic acid, 16-methyl-, 2-(acetylamino)-4-(5-amino-3,4-dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-4-oxobutyl ester

CAS Registry Number®

136762-44-2

CAS Name

Heptadecanoic acid, 16-methyl-, 2-(acetylamino)-4-(5-amino-3,4-dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-4-oxobutyl ester

Molecular Formula

C35H56N2O6

Molecular Mass

600.83

Cite this Page

Heptadecanoic acid, 16-methyl-, 2-(acetylamino)-4-(5-amino-3,4-dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-4-oxobutyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=136762-44-2 (retrieved 2025-01-20) (CAS RN: 136762-44-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H56N2O6/c1-25(2)18-16-14-12-10-8-6-7-9-11-13-15-17-19-32(41)42-24-27(37-26(3)38)22-29(39)28-20-21-31-33(34(28)36)30(40)23-35(4,5)43-31/h20-21,25,27H,6-19,22-24,36H2,1-5H3,(H,37,38)

InChIKey

InChIKey=NQLASHIWANSPGZ-UHFFFAOYSA-N

SMILES

NC1=C2C(=CC=C1C(CC(COC(CCCCCCCCCCCCCCC(C)C)=O)NC(C)=O)=O)OC(C)(C)CC2=O

Canonical SMILES

O=C(OCC(NC(=O)C)CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N)CCCCCCCCCCCCCCC(C)C

Other Names for this Substance

  • Heptadecanoic acid, 16-methyl-, 2-(acetylamino)-4-(5-amino-3,4-dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-4-oxobutyl ester